Details of the Drug

General Information of Drug (ID: DMES9Q2)

• Drug Name: Ginsenoside Rc
• Synonyms: Ginsenoside Rc; Panaxoside RC; ginsenoside-Rc; 0K83B0L786; 11021-14-0; 20-((6-O-alpha-L-Arabinofuranosyl-beta-D-glucopyranosyl)oxy)-12beta-hydroxydammar-24-en-3beta-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside; 20-[(6-O-a-L-arabinofuranosyl-ss-D-glucopyranosyl)oxy]-12ss-hydroxydammar-24-en-3ss-yl 2-O-ss-D-glucopyranosyl-ss-D-glucopyranoside; AB0029025; AKOS037514670; AS-56539; BRN 1677618; CHEBI:77154; CHEMBL451702; CS-3837; EINECS 234-253-5; HY-N0042; MFCD00133368; NCGC00485983-01; NSC 310104; UNII-0K83B0L786; s9266
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight (mw); 1079.3
  Logarithm of the Partition Coefficient (xlogp); 0.9
  Rotatable Bond Count (rotbonds); 16
  Hydrogen Bond Donor Count (hbonddonor); 14
  Hydrogen Bond Acceptor Count (hbondacc); 22
• Chemical Identifiers:
  Formula: C53H90O22
  IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  Canonical SMILES: CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(O8)CO)O)O)O)O)O)C
  InChI: JDCPEKQWFDWQLI-LUQKBWBOSA-N
  InChIKey: 1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-68-45-41(65)36(60)28(21-56)69-45)24-11-16-52(7)33(24)25(57)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)35(59)27(20-55)71-48)74-46-42(66)38(62)34(58)26(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28-,29+,30-,31+,32-,33-,34+,35+,36-,37+,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48-,50-,51+,52+,53-/m0/s1
• Cross-matching ID:
  PubChem CID: 12855889
  ChEBI ID: CHEBI:77154
  CAS Number: 11021-14-0
  INTEDE ID: DR2677

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Beta-glucosidase (bglA)	DEUQTKA	A0A249DCH3_LACRH	Substrate	[1]
Beta-glucosidase (bglA)	DERPJZ6	A0A4Q4LS82_BIFAN	Substrate	[1]

References

• [1] Fermentation of protopanaxadiol type ginsenosides (PD) with probiotic Bifidobacterium lactis and Lactobacillus rhamnosus. Appl Microbiol Biotechnol. 2017 Jul;101(13):5427-5437.